| SpectraBase Compound ID | 9m0NNil5Dwx |
|---|---|
| InChI | InChI=1S/C20H39NO4/c1-4-7-10-12-14-17-24-19(22)18(15-13-11-8-5-2)21-20(23)25-16-9-6-3/h18H,4-17H2,1-3H3,(H,21,23) |
| InChIKey | VDZBLEICMIVTNL-UHFFFAOYSA-N |
| Mol Weight | 357.5 g/mol |
| Molecular Formula | C20H39NO4 |
| Exact Mass | 357.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ZSLH0VCeX |
|---|---|
| Name | 2-Aminocaprylic acid, N-butoxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.287908736 u |
| Formula | C20H39NO4 |
| InChI | InChI=1S/C20H39NO4/c1-4-7-10-12-14-17-24-19(22)18(15-13-11-8-5-2)21-20(23)25-16-9-6-3/h18H,4-17H2,1-3H3,(H,21,23) |
| InChIKey | VDZBLEICMIVTNL-UHFFFAOYSA-N |
| Molecular Weight | 357.535 g/mol |
| SMILES | CCCCOC(NC(C(OCCCCCCC)=O)CCCCCC)=O |